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84261-13-2 | 2H-Thiopyran-2-one, 5,6-dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-
CAS No: 84261-13-2 Catalog No: AG004YPP MDL No:
Product Description
Catalog Number:
AG004YPP
Chemical Name:
2H-Thiopyran-2-one, 5,6-dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-
CAS Number:
84261-13-2
Molecular Formula:
C11H17NOS
Molecular Weight:
211.3238
IUPAC Name:
2,2-dimethyl-4-pyrrolidin-1-yl-3H-thiopyran-6-one
InChI:
InChI=1S/C11H17NOS/c1-11(2)8-9(7-10(13)14-11)12-5-3-4-6-12/h7H,3-6,8H2,1-2H3
InChI Key:
NQZHVJUOJKCVKA-UHFFFAOYSA-N
SMILES:
O=C1C=C(CC(S1)(C)C)N1CCCC1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.103g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.323g/mol
Monoisotopic Mass:
211.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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